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338422-40-5

(2-[(4-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL is a white to off-white solid with the molecular formula C13H12F2N2OS. It is a compound commonly used as an intermediate in the synthesis of pharmaceuticals, characterized by the presence of a thiol and an imidazole functional group, a fluoro-substituted benzyl group, and a methanol group.
Used in Pharmaceutical Industry:
(2-[(4-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL is used as a pharmaceutical intermediate for the synthesis of drugs targeting specific biological pathways due to its unique functional groups.
Used in Drug Discovery:
(2-[(4-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL is used as a pharmacological tool for studying receptor interactions and molecular mechanisms in drug discovery, thanks to its fluoro-substituted benzyl group.
Used in Drug Delivery Systems:
(2-[(4-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL is used as a potential candidate in drug delivery systems, leveraging its methanol group for improved solubility and formulation.

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  • 338422-40-5 Structure

  • Basic information

    1. Product Name: (2-[(4-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL
    2. Synonyms: (2-[(4-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL;2-(4-FLUOROBENZYLTHIO)-5-(HYDROXYMETHYL)-1-METHYL-1H-IMIDAZOLE;2-(4-FLUOROBENZYTHIO)-5-(HYDROXYMETHYL)-1-METHYL-1H-IMIDAZOLE;2-(4-Fluorobenzythio)-5-(hydroxymethyl)-1-methyl-1H-imidazole97%
    3. CAS NO:338422-40-5
    4. Molecular Formula: C12H13FN2OS
    5. Molecular Weight: 252.31
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 338422-40-5.mol

  • Chemical Properties

    1. Melting Point: 124-126°C
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (2-[(4-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL(CAS DataBase Reference)
    10. NIST Chemistry Reference: (2-[(4-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL(338422-40-5)
    11. EPA Substance Registry System: (2-[(4-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL(338422-40-5)

  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 37/38-41
    3. Safety Statements: 26-39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 338422-40-5(Hazardous Substances Data)

338422-40-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 338422-40-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,3,8,4,2 and 2 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 338422-40:
(8*3)+(7*3)+(6*8)+(5*4)+(4*2)+(3*2)+(2*4)+(1*0)=135
135 % 10 = 5
So 338422-40-5 is a valid CAS Registry Number.

338422-40-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name {2-[(4-Fluorobenzyl)sulfanyl]-1-methyl-1H-imidazol-5-yl}methanol

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:338422-40-5 SDS

338422-40-5Downstream Products

338422-40-5Relevant articles and documents

Design, Synthesis, and Docking Studies of Thioimidazolyl Diketoacid Derivatives Targeting HIV-1 Integrase

Hajimahdi, Zahra,Karimi, Nafiseh,Roudsari, Rouhollah Vahabpour,Zarghi, Afshin

, p. 616 - 628 (2022/03/09)

Background: Integrase enzyme is a validated drug target to discover novel structures as anti-HIV-1 agents. Objective: This study aimed at developing a novel series of thioimidazolyl diketoacid derivatives characterizing various substituents at N-1 and 2-thio positions of the central ring as HIV-1integrase inhibitors. Methods: In this study, eighteen novel thioimidazolyl DKA derivatives were synthesized in a five-step parallel procedure and tested in vitro for the inhibition of both IN ST reaction and the single-cycle HIV-1 replication in HeLa cell culture. Results: The obtained molecules were evaluated using the enzyme assay, displaying promising integrase inhibitory activity with IC50 values ranging from 0.9 to 7.7 mM. The synthesized compounds were also tested for antiviral activity and cytotoxicity using HeLa cells infected by the single-cycle replicable HIV-1 NL4-3. Conclusion: The most potent compound was found to be 18i with EC50 = 19 μM, IC50 = 0.9 μM, and SI = 10.5. Docking studies indicated that the binding mode of the active molecule is well aligned with the known HIV-1integrase inhibitor.

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